国家重点基础研究发展计划(2013CB834603)

作品数：18被引量：42H指数：4
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相关作者：李微雪丁戊辰包信和傅强赵亚帆更多>>
相关机构：中国科学院贵州民族大学西安交通大学清华大学更多>>
相关期刊：《Science China Chemistry》《Science Bulletin》《Chinese Journal of Catalysis》《中国科学：化学》更多>>
相关主题：FEO密度泛函理论第一性原理研究CO_OXIDATIONSINGLE-ATOM更多>>
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Influence of nickel(II) oxide surface magnetism on molecule adsorption: A first-principles study
《Chinese Journal of Catalysis》2017年第10期1736-1748,共13页Chuan‐Qi Huang Wei‐Xue Li 
supported by the National Natural Science Foundation of China(91645202);the National Key R&D Program of China(2017YFB602205);the National Basic Research Program of China(2013CB834603);the Frontier Science Key Project of Chinese Academy of Sciences(QYZDJ-SSW-SLH054)~~
The influence of the magnetism of transition metal oxide,nickel(II)oxide(NiO),on its surface reactivity and the dependence of surface reactivity on surface orientation and reactant magnetism were studied by density fu...
关键词：MAGNETISM Surface orientation Molecule adsorption First‐principles theory Electronic structure 
Catalytic ativities of single-atom catalysts for CO oxidation: Pt_1/FeO_x vs. Fe_1/FeO_x被引量：7
《Chinese Journal of Catalysis》2017年第9期1566-1573,共8页Jinxia Liang Xiaofeng Yang Congqiao Xu Tao Zhang Jun Li 
supported by the National Natural Science Foundation of China(21503046,21373206,21203182);the National Basic Research Program of China(2013CB834603);the Natural Science Foundation of Guizhou Province of China(QKJ(2015)2122);Natural Science foundation of Department of Education of Guizhou Province(QJTD(2015)55 and ZDXK(2014)18);the GZEU startup package;the Open Fund of Shaanxi Key Laboratory of Catalysis to JXL(SXKLC-2017-01)~~
An FeOx‐based Pt single‐atom catalyst(SAC),Pt1/FeOx,has stimulated significant recent interest owing to its extraordinary activity toward CO oxidation.The concept of SAC has also been successfully extended to other ...
关键词：Single‐atom catalyst FeOx substrate Density functional theory Heterogeneous catalysis CO oxidation 
Intercalation-etching of graphene on Pt(111) in H_2 and O_2 observed by in-situ low energy electron microscopy被引量：1
《Science China Chemistry》2017年第5期656-662,共7页Wei Wei Caixia Meng Qiang Fu Xinhe Bao 
supported by the National Natural Science Foundation of China(21373208,21688102,91545204,21621063);Ministry of Science and Technology of China(2016YFA0200200,2013CB834603,2013CB933100);the Strategic Priority Research Program of the Chinese Academy of Sciences(XDB17020200)
Graphene layers are often exposed to gaseous environments in their synthesis and application processes, and interactions of graphene surfaces with molecules particularly H2 and O2 are of great importance in their phys...
关键词：GRAPHENE ETCHING INTERCALATION LEEM oxidation HYDROGENATION 
New mechanistic pathways for CO oxidation catalyzed by single-atom catalysts： Supported and doped Au1/ThO2被引量：14
《Nano Research》2016年第12期3868-3880,共13页Bo Long Yan Tang Jun Li 
The calculations were supported by the National Basic Research Program of China （No. 2013CB834603） and National Natural Science Foundation of China （Nos. 91426302, 21590792, and 21433005） and were performed using supercomputers at Tsinghua National Laboratory for Information Science and Technology and the Supercomputing Center, Computer Network Infor- mation Center of the Chinese Academy of Sciences.
Single-atom catalysts are of great interest and importance for designing new high-performance low-cost catalysts. We investigated CO oxidation catalyzed by single gold atoms supported on thoria （Au/ThO2） and doped T...
关键词：CO oxidation single gold catalysis catalytic mechanism actinide oxides 
Segregation growth of epitaxial graphene overlayers on Ni(111)
《Science Bulletin》2016年第19期1536-1542,1470,共8页杨阳 傅强 魏伟 包信和 
supported by the National Natural Science Foundation of China(21373208,91545204,and 21321002);the National Basic Research Program of China(2016YFA0200200,2013CB834603,and 2013CB933100);the Strategic Priority Research Program of the Chinese Academy of Sciences(XDB17020200)
The orientation control of graphene overlayers on metal surface is an important issue which remains as a challenge in graphene growth on Ni surface. Here we have demonstrated that epitaxial graphene overlayers can be ...
关键词：Low energy electron microscopy GRAPHENE Ni(111) CVD 
On the oxidation states of metal elements in MO-3(M=V,Nb,Ta,Db,Pr,Gd,Pa)anions被引量：3
《Science China Chemistry》2016年第4期442-451,共10页Jing Su Shuxian Hu Wei Huang Mingfei Zhou Jun Li 
supported by the National Basic Research Program of China(2013CB834603);the National Natural Science Foundation of China(21173053,21433005,91426302,21221062,21201106)
Relativistic quantum chemistry investigations are carried out to tackle the puzzling oxidation state problem in a series of MO3 trioxide anions of all d- and f-block elements with five valence electrons. We have shown...
关键词：oxidation state non-innocent ligand BIRADICAL LANTHANIDE trioxide anion 
水在化学反应中的(助)催化作用研究进展被引量：4
《中国科学：化学》2016年第1期1-11,共11页常春然 赵亚帆 龙波 黄正清 李隽 
国家重点基础研究发展计划(2013CB834603);国家自然科学基金(21543005);中央高校基本科研业务费专项资金(xjj2014064);中国博士后科学基金(2014M562391)资助
水广泛存在于众多化学反应体系中,除了提供反应媒介外,还发挥着很多其他的重要作用.近年来,水的(助)催化作用受到催化科学工作者的广泛关注,并且取得了一系列研究成果.本文从实验和理论两个方面,对水或水气在气相分子反应、液相反应及...
关键词：水 催化作用 氢转移 氧气活化 过氧氢机理 
Oxygen intercalation under hexagonal boron nitride(h-BN)on Pt(111)被引量：2
《Science Bulletin》2015年第18期1572-1579,共8页Yanhong Zhang Mingming Wei Qiang Fu Xinhe Bao 
supported by the National Natural Science Foundation of China(21222305,21373208,and21033009);the National Basic Research Program of China(2011CB932704,2013CB933100,and 2013CB834603);the Key Research Program of the Chinese Academy of Science(KGZD-EWT05);The Advanced Light Source and beamlines 11.0.2 and 9.3.1 are supported by the Director,Office of Energy Research,Office of Basic Energy Sciences,and Chemical Sciences Division of the US Department of Energy under contracts No.DE-AC02-05CH11231
The interface between a two-dimensional(2D)atomic crystal and a metal surface can be regarded as a nanoreactor, in which molecule adsorption and catalytic reactions may occur. In this work, we demonstrate that oxygen ...
关键词：H-BN Oxygen intercalation COoxidation - LEEM/PEEM NAP-XPS 
MoO_x促进的Pt基催化剂用于低温水汽变换反应(英文)
《催化学报》2015年第5期750-756,共7页许学俊 傅强 包信和 
supported by the National Natural Science Foundation of China(21222305,21321001,21103181);the National Basic Research Program of China(973Program,2013CB834603,2013CB933100,2011CBA00503)~~
通过浸渍还原法制备了不同比例的Pt-Mo/SiO_2催化剂,采用X射线衍射、透射电镜、X射线近边吸收谱和X射线光电子能谱表征了Pt-Mo/SiO_2催化剂的组成、结构及价态.研究结果表明,少量MoO_x修饰Pt-Mo/SiO_2催化剂在低温水汽变换反应中表现出...
关键词：水汽变换反应 铂 钼氧化物 协同作用 界面催化 
覆盖有石墨烯层的金属表面上的催化作用(英文)被引量：2
《催化学报》2015年第4期517-519,共3页Qiang Fu Xinhe Bao 
financially supported by the National Natural Science Foundation of China (21222305, 21373208, and 21033009);the National Basic Research Program of China (973 Program, 2011CB932704 and 2013CB834603);the Key Research Program of the Chinese Academy of Sciences
In heterogeneous catalysis, the modulation of catalysis occurring on metal catalysts can be done by changing the electronic structure of the active surface through a modification of its composition and structure of th...
关键词：金属表面 多相催化 石墨 金属催化剂 表面合金化 电子结构 活性表面 结构改变 
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